Modeling of Organic Heterocyclic Molecules using QSAR/QSPR Analysis

With the rapid development of computer science and theoretical quantum chemical studies, it can speedily and precisely obtain the quantum and non-quantum chemical parameters of compounds by computation. These structural parameters along with the introduction of the quantitative structure activity/propriety relationship QSAR/QSPR models, used to investigate the relations between molecular descriptors of a set of compounds and their biological activity or chemical property, can increase the interpretability and predict the activity/propriety of new organic compounds.

Info autore

Prof. S. Chtita, Molecular Chemistry and Natural Substances Laboratory, Fac. of Science, Univ. Moulay Ismail, MoroccoProf. M. Bouachrine, Research team: Materials, Environment and Modeling (MEM), University Moulay Ismail, MoroccoProf. T. Lakhlifi, Molecular Chemistry and Natural Substances Laboratory, Fac. of Science, Univ. Moulay Ismail, Morocco

Dettagli sul prodotto

• Autori: Mohamme Bouachrine, Mohammed Bouachrine, Sami Chtita, Samir Chtita, Tahar Lakhlifi
• Editore: Noor Publishing
• Lingue: Inglese
• Formato: Tascabile
• Pubblicazione: 20.01.2017
• EAN: 9783330844834
• ISBN: 978-3-33-084483-4
• Pagine: 156
• Categorie: Saggistica > Natura, tecnica > Scienze naturali; Scienze naturali, medicina, informatica, tecnica > Chimica